2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide

C17H10Cl4N2O3S — CID 11454050

IUPAC2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl4N2O3S/c18-10-1-4-17(15(21)6-10)27(24,25)23-12-2-3-16(14(20)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H
InChIKeyLNIULHRHMSPYQQ-UHFFFAOYSA-N
MW464.16 g/mol
LogP6.29
Rot. Bonds5

About 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide

2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide (PubChem CID 11454050) has the molecular formula C17H10Cl4N2O3S and a molecular weight of 464.16 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
PubChem CID11454050
Molecular FormulaC17H10Cl4N2O3S
Molecular Weight464.16 g/mol
Exact Mass461.92
IUPAC Name2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl4N2O3S/c18-10-1-4-17(15(21)6-10)27(24,25)23-12-2-3-16(14(20)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H
InChIKeyLNIULHRHMSPYQQ-UHFFFAOYSA-N
XLogP6.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.16
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide (CID 11454050) is 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The InChIKey is LNIULHRHMSPYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N2O3S/c18-10-1-4-17(15(21)6-10)27(24,25)23-12-2-3-16(14(20)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H.
What are the key properties of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide has a molecular weight of 464.16 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 11454050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).